(2-phenoxyphenyl)-triphenylphosphanium;tetraphenylboranuide

C54H44BOP — CID 87661326

IUPAC(2-phenoxyphenyl)-triphenylphosphanium;tetraphenylboranuide
SMILESc1ccc(Oc2ccccc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H24OP.C24H20B/c1-5-15-25(16-6-1)31-29-23-13-14-24-30(29)32(26-17-7-2-8-18-26,27-19-9-3-10-20-27)28-21-11-4-12-22-28;1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-24H;1-20H/q+1;-1
InChIKeyNZNYWKCOOMEBIP-UHFFFAOYSA-N
MW750.73 g/mol
LogP9.16
Rot. Bonds10

About (2-phenoxyphenyl)-triphenylphosphanium;tetraphenylboranuide

(2-phenoxyphenyl)-triphenylphosphanium;tetraphenylboranuide (PubChem CID 87661326) has the molecular formula C54H44BOP and a molecular weight of 750.73 g/mol. Its IUPAC name is (2-phenoxyphenyl)-triphenylphosphanium;tetraphenylboranuide.

Molecular Properties

Compound Name(2-phenoxyphenyl)-triphenylphosphanium;tetraphenylboranuide
PubChem CID87661326
Molecular FormulaC54H44BOP
Molecular Weight750.73 g/mol
Exact Mass750.32
IUPAC Name(2-phenoxyphenyl)-triphenylphosphanium;tetraphenylboranuide
SMILESc1ccc(Oc2ccccc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H24OP.C24H20B/c1-5-15-25(16-6-1)31-29-23-13-14-24-30(29)32(26-17-7-2-8-18-26,27-19-9-3-10-20-27)28-21-11-4-12-22-28;1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-24H;1-20H/q+1;-1
InChIKeyNZNYWKCOOMEBIP-UHFFFAOYSA-N
XLogP9.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.73
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

boric acid;(2-phenoxyphenyl)-triphenylphosphanium;tetraphenylphosphanium
CID 175447318
ethanolate;(2-phenoxyphenyl)-triphenylphosphanium
CID 18356110
(2-methoxyphenyl)-triphenylphosphanium bromide
CID 18355982
(4-phenoxyphenyl)-triphenylphosphanium
CID 102105381
lithium tetrakis(4-phenoxyphenyl)boranuide
CID 118992316
benzo[a]anthracen-1-yloxy(dioxido)borane;(2-phenoxyphenyl)-triphenylphosphanium
CID 18407742
tetrakis(4-methylphenyl)phosphanium;tetraphenylboranuide
CID 87662093
1,3-diphenoxy-2-phenylbenzene
CID 88611434
1,2-bis(4-phenylphenoxy)benzene
CID 23083743
CID 174934257
CID 174934257
2-phenoxybenzenethiol;hydrochloride;tetrahydrofluoride
CID 173469138
1-(2-phenoxyphenyl)-2-(2-phenylphenoxy)benzene
CID 54513484

Frequently Asked Questions

What is the IUPAC name of (2-phenoxyphenyl)-triphenylphosphanium;tetraphenylboranuide?
The IUPAC name of (2-phenoxyphenyl)-triphenylphosphanium;tetraphenylboranuide (CID 87661326) is (2-phenoxyphenyl)-triphenylphosphanium;tetraphenylboranuide.
What is the SMILES notation for (2-phenoxyphenyl)-triphenylphosphanium;tetraphenylboranuide?
The canonical SMILES for (2-phenoxyphenyl)-triphenylphosphanium;tetraphenylboranuide is c1ccc(Oc2ccccc2[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2-phenoxyphenyl)-triphenylphosphanium;tetraphenylboranuide?
The InChIKey is NZNYWKCOOMEBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24OP.C24H20B/c1-5-15-25(16-6-1)31-29-23-13-14-24-30(29)32(26-17-7-2-8-18-26,27-19-9-3-10-20-27)28-21-11-4-12-22-28;1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-24H;1-20H/q+1;-1.
What are the key properties of (2-phenoxyphenyl)-triphenylphosphanium;tetraphenylboranuide?
(2-phenoxyphenyl)-triphenylphosphanium;tetraphenylboranuide has a molecular weight of 750.73 g/mol, XLogP of 9.16, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenoxyphenyl)-triphenylphosphanium;tetraphenylboranuide is sourced from PubChem (CID 87661326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).